Aklomide
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Basic Info
Common Name | Aklomide(F05656) |
2D Structure | |
FRCD ID | F05656 |
CAS Number | 3011-89-0 |
PubChem CID | 2075 |
Formula | C7H5ClN2O3 |
IUPAC Name | 2-chloro-4-nitrobenzamide |
InChI Key | GFGSZUNNBQXGMK-UHFFFAOYSA-N |
InChI | InChI=1S/C7H5ClN2O3/c8-6-3-4(10(12)13)1-2-5(6)7(9)11/h1-3H,(H2,9,11) |
Canonical SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)N |
Isomeric SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)N |
Synonyms | 2-Chloro-4-nitrobenzamide aklomide 3011-89-0 Aklomix Clomide Alkomide Benzamide, 2-chloro-4-nitro- component of Aklomix component of Novastat-W UNII-B0E341RA20 |
Classifies | Predicted: Pollutant |
Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
Kingdom | Organic compounds |
Superclass | Benzenoids |
Class | Benzene and substituted derivatives |
Subclass | Benzoic acids and derivatives |
Intermediate Tree Nodes | Halobenzoic acids and derivatives |
Direct Parent | 2-halobenzoic acids and derivatives |
Alternative Parents |
|
Molecular Framework | Aromatic homomonocyclic compounds |
Substituents | 2-halobenzoic acid or derivatives - Benzamide - Nitrobenzene - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Primary carboxylic acid amide - Carboxamide group - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Organic zwitterion - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
Description | This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring. |
Properties
Property Name | Property Value |
---|---|
Molecular Weight | 200.578 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 1 |
Complexity | 228 |
Monoisotopic Mass | 199.999 |
Exact Mass | 199.999 |
XLogP | 1.4 |
Formal Charge | 0 |
Heavy Atom Count | 13 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Isotope Atom Count | 0 |
Covalently-Bonded Unit Count | 1 |
MRLs
Food | Product Code | Country | MRLs | Application Date | Notes |
---|---|---|---|---|---|
Skin With Fat Of Chickens | United States | 3ppm | |||
Muscle Of Chickens | United States | 4.5ppm | |||
Liver Of Chickens | United States | 4.5ppm | |||
Chicken,Fat | Japan | 3ppm |